SCHEMBL2852001

SCHEMBL2852001

Cc1nc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)c(-c2ccccc2)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.66
PTGS2 P35354 1/20 0.61
HRH1 P35367 1/20 0.61
KCNH2 Q12809 1/20 0.61
DPP8 Q6V1X1 1/20 0.61
DPP9 Q86TI2 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2850234 0.88 DPP4 (0.67) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2855057 0.85 DPP4 (0.67) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2851761 0.84 DPP4 (0.66) DPP4PTGS2HRH1KCNH2DPP8
Hydrochloric Acid SCHEMBL2711254 0.80 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL2857596 0.80 DPP4 (0.67) DPP4
Hydrochloric Acid SCHEMBL2708846 0.79 DPP4 (0.98) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2852673 0.79 DPP4 (0.73) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2873218 0.78 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL2854204 0.78 DPP4 (0.74) DPP4PTGS2HRH1KCNH2DPP8
Hydrochloric Acid SCHEMBL2709149 0.78 DPP4 (0.98) DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed